N-[4-(azepan-1-ylcarbonyl)phenyl]-3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]propionamide Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CCC3COC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C24H28N2O4/c27-23(14-13-20-17-29-21-7-3-4-8-22(21)30-20)25-19-11-9-18(10-12-19)24(28)26-15-5-1-2-6-16-26/h3-4,7-12,20H,1-2,5-6,13-17H2,(H,25,27)/t20-/m0/s1